6,6-dimethyl-1-(oxolan-3-ylmethyl)-3-propan-2-ylpiperazine-2,5-dione

C14H24N2O3 — CID 64873223

IUPAC6,6-dimethyl-1-(oxolan-3-ylmethyl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1NC(=O)C(C)(C)N(CC2CCOC2)C1=O
InChIInChI=1S/C14H24N2O3/c1-9(2)11-12(17)16(7-10-5-6-19-8-10)14(3,4)13(18)15-11/h9-11H,5-8H2,1-4H3,(H,15,18)
InChIKeyRYUIIXDMURSHQI-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.78
Rot. Bonds3

About 6,6-dimethyl-1-(oxolan-3-ylmethyl)-3-propan-2-ylpiperazine-2,5-dione

6,6-dimethyl-1-(oxolan-3-ylmethyl)-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 64873223) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 6,6-dimethyl-1-(oxolan-3-ylmethyl)-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name6,6-dimethyl-1-(oxolan-3-ylmethyl)-3-propan-2-ylpiperazine-2,5-dione
PubChem CID64873223
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name6,6-dimethyl-1-(oxolan-3-ylmethyl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1NC(=O)C(C)(C)N(CC2CCOC2)C1=O
InChIInChI=1S/C14H24N2O3/c1-9(2)11-12(17)16(7-10-5-6-19-8-10)14(3,4)13(18)15-11/h9-11H,5-8H2,1-4H3,(H,15,18)
InChIKeyRYUIIXDMURSHQI-UHFFFAOYSA-N
XLogP0.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6,6-dimethyl-1-(oxolan-3-ylmethyl)-3-propan-2-ylpiperazine-2,5-dione with MolForge

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Related Compounds

6,6-dimethyl-1-(oxolan-3-ylmethyl)-3-propylpiperazine-2,5-dione
CID 64874959
3-ethyl-6,6-dimethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione
CID 64903009
3-tert-butyl-6,6-dimethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione
CID 64902280
6-ethyl-3,3,6-trimethyl-1-(oxolan-3-ylmethyl)piperazine-2,5-dione
CID 64901613
6-cyclopropyl-3,3,6-trimethyl-1-(oxolan-3-ylmethyl)piperazine-2,5-dione
CID 64901434
6-ethyl-6-methyl-1-(oxolan-3-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64874208
1-benzyl-6,6-dimethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64873607
6-(cyclobutylmethyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 65463300
6,6-dimethyl-1-[2-(2-methylpropoxy)ethyl]-3-propan-2-ylpiperazine-2,5-dione
CID 106458966
1-(cyclobutylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 65463301
6-(oxolan-3-ylmethyl)-8-propyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64873782
8-cyclopropyl-6-(oxolan-3-ylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64887356

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-(oxolan-3-ylmethyl)-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 6,6-dimethyl-1-(oxolan-3-ylmethyl)-3-propan-2-ylpiperazine-2,5-dione (CID 64873223) is 6,6-dimethyl-1-(oxolan-3-ylmethyl)-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 6,6-dimethyl-1-(oxolan-3-ylmethyl)-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 6,6-dimethyl-1-(oxolan-3-ylmethyl)-3-propan-2-ylpiperazine-2,5-dione is CC(C)C1NC(=O)C(C)(C)N(CC2CCOC2)C1=O.
What is the InChIKey of 6,6-dimethyl-1-(oxolan-3-ylmethyl)-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is RYUIIXDMURSHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-9(2)11-12(17)16(7-10-5-6-19-8-10)14(3,4)13(18)15-11/h9-11H,5-8H2,1-4H3,(H,15,18).
What are the key properties of 6,6-dimethyl-1-(oxolan-3-ylmethyl)-3-propan-2-ylpiperazine-2,5-dione?
6,6-dimethyl-1-(oxolan-3-ylmethyl)-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 268.36 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-(oxolan-3-ylmethyl)-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64873223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).